HMDB0249587 RDKit 3D Cannabidiolic acid 56 57 0 0 0 0 0 0 0 0999 V2000 -4.0082 2.2164 -1.5286 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0631 1.5602 -0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7331 2.2475 0.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5377 0.2326 -0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1922 -0.4706 -1.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1879 -1.9557 -1.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1706 -2.3915 0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4707 -3.8591 0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8868 -1.5973 1.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5519 -0.1497 0.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1073 -0.0296 0.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2944 -1.0197 1.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -2.1177 1.8393 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0608 -0.9193 1.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7108 0.1230 0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1776 0.0790 0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6864 -0.4399 -0.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1953 -0.5293 -0.9237 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8619 0.7936 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3925 0.5158 -0.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9194 1.0931 -0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5368 2.2461 -0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7946 2.3514 -0.8129 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 3.2645 -1.2939 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4892 1.0448 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 2.0098 -0.6241 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4267 3.1977 -1.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5278 1.7723 -2.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3678 1.8924 1.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8386 2.0731 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5199 3.3383 0.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5104 -0.3903 0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9705 -0.1892 -2.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2089 -0.0993 -1.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1716 -2.3307 -1.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4199 -2.4692 -1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4808 -4.4239 0.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0245 -4.3163 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0444 -4.0089 1.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9236 -1.9212 2.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7681 0.4472 1.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2304 -2.7977 2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6682 -1.7133 1.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 1.0134 0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -0.6794 1.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3697 0.1071 -1.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2886 -1.5002 -1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5515 -0.8731 -1.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5517 -1.2920 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6017 1.5847 -1.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6202 1.1500 0.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7009 0.2844 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6235 -0.3536 -1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8672 1.4326 -1.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1911 3.9626 -1.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1262 2.8039 -1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 15 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 21 25 2 0 25 26 1 0 10 4 1 0 25 11 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 8 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 10 41 1 0 13 42 1 0 14 43 1 0 16 44 1 0 16 45 1 0 17 46 1 0 17 47 1 0 18 48 1 0 18 49 1 0 19 50 1 0 19 51 1 0 20 52 1 0 20 53 1 0 20 54 1 0 24 55 1 0 26 56 1 0 M END